| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 31 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.85 | 5.09 | -16.86 | 3 | 7 | 0 | 99 | 441.915 | 7 | ↓ |
| Ref Reference (pH 7) | 3.85 | 4.92 | -13.96 | 3 | 7 | 0 | 99 | 441.915 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 5.55 | -56.21 | 1 | 7 | -1 | 98 | 440.907 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 5.32 | -49.31 | 1 | 7 | -1 | 98 | 440.907 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 5.87 | -41.94 | 2 | 7 | -1 | 102 | 440.907 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 5.69 | -50.4 | 2 | 7 | -1 | 102 | 440.907 | 7 | ↓ |
